Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Meta-analysis: 1Target: 12Links: 25
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 12187
- Core Entity Id
- 16714
- Source Entity Count
- 1
- Preferred Name
- Benzothiazole
- Name En
- Pubchem Id
- 7222
- Smiles Canonical
- C1=CC=C2C(=C1)N=CS2
- Molecular Formula
- C7H5NS
- Molecular Weight
- 135.1910
- Inchikey
- IOJUPLGTWVMSFF-UHFFFAOYSA-N
- Inchi
- InChI=1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H
- Isomeric Smiles
- C1=CC=C2C(=C1)N=CS2
- Cas Id
- 95-16-9
- Ob Score
- Mol Logp
- 2.2963
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5400
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Benzothiazole
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Benzothiazole
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Benzothiazole
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Benzothiazole
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Benzothiazole
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
红花
Role
TCM_name
Source
TCMBank
Preferred
No
Name
HONG HUA
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Safflower
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
1,3-Benzothiazole
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,3-Benzothiazole
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Thia-3-azaindene
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Thia-3-azaindene
Role
alias
Source
itcmdb_public
Preferred
No
Name
95-16-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
95-16-9
Role
alias
Source
HERB_v2
Preferred
No
Name
BENZO[D]THIAZOLE
Role
alias
Source
HERB_v2
Preferred
No
Name
BENZO[D]THIAZOLE
Role
alias
Source
itcmdb_public
Preferred
No
Name
Benzosulfonazole
Role
alias
Source
itcmdb_public
Preferred
No
Name
Benzosulfonazole
Role
alias
Source
HERB_v2
Preferred
No
Name
FEMA No. 3256
Role
alias
Source
itcmdb_public
Preferred
No
Name
FEMA No. 3256
Role
alias
Source
HERB_v2
Preferred
No
Name
USAF EK-4812
Role
alias
Source
itcmdb_public
Preferred
No
Name
USAF EK-4812
Role
alias
Source
HERB_v2
Preferred
No
Name
Vangard BT
Role
alias
Source
HERB_v2
Preferred
No
Name
Vangard BT
Role
alias
Source
itcmdb_public
Preferred
No
Name
benzothiazol
Role
alias
Source
HERB_v2
Preferred
No
Name
benzothiazol
Role
alias
Source
itcmdb_public
Preferred
No
Name
THZ
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Thz
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
1,3-benzothiazole
Role
alias
Source
TCMBank
Preferred
No
Name
101338_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
12797_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
128366-28-9
Role
alias
Source
TCMBank
Preferred
No
Name
178804-04-1
Role
alias
Source
TCMBank
Preferred
No
Name
2-(4'-amino-3'-methylphenyl)benzothiazole
Role
alias
Source
TCMBank
Preferred
No
Name
4-(1,3-benzothiazol-2-yl)-2-methylaniline
Role
alias
Source
TCMBank
Preferred
No
Name
4-(3H-1lambda*4*-Benzothiazol-2-yl)-2-methyl-phenylamine
Role
alias
Source
TCMBank
Preferred
No
Name
4-(benzo[d]thiazol-2-yl)-2-methylaniline
Role
alias
Source
TCMBank
Preferred
No
Name
4-(benzo[d]thiazol-2-yl)-2-methylbenzenamine
Role
alias
Source
TCMBank
Preferred
No
Name
4-27-00-01069 (Beilstein Handbook Reference)
Role
alias
Source
TCMBank
Preferred
No
Name
4-Benzothiazol-2-yl-2-methyl-phenylamine
Role
alias
Source
TCMBank
Preferred
No
Name
AC-907/25014160
Role
alias
Source
TCMBank
Preferred
No
Name
AC1L8NN0
Role
alias
Source
TCMBank
Preferred
No
Name
AI3-05742
Role
alias
Source
TCMBank
Preferred
No
Name
AIDS-019689
Role
alias
Source
TCMBank
Preferred
No
Name
AK619236
Role
alias
Source
TCMBank
Preferred
No
Name
AKOS000108517
Role
alias
Source
TCMBank
Preferred
No
Name
BAS 06856403
Role
alias
Source
TCMBank
Preferred
No
Name
BB 0245167
Role
alias
Source
TCMBank
Preferred
No
Name
BBL008089
Role
alias
Source
TCMBank
Preferred
No
Name
BB_SC-00831
Role
alias
Source
TCMBank
Preferred
No
Name
BB_SC-0831
Role
alias
Source
TCMBank
Preferred
No
Name
BDBM50141278
Role
alias
Source
TCMBank
Preferred
No
Name
BENZOTHIAZOLE
Role
alias
Source
TCMBank
Preferred
No
Name
BOT
Role
alias
Source
TCMBank
Preferred
No
Name
BRN 0109468
Role
alias
Source
TCMBank
Preferred
No
Name
Benzenamine, 4-(2-benzothiazolyl)-2-methyl-
Role
alias
Source
TCMBank
Preferred
No
Name
Benzenamine, 4-(benzothiazol-2-yl)-2-methyl-
Role
alias
Source
TCMBank
Preferred
No
Name
Benzothiazol
Role
alias
Source
TCMBank
Preferred
No
Name
Benzothiazole, 2-(4-amino-3-methylphenyl)-
Role
alias
Source
TCMBank
Preferred
No
Name
CCG-35258
Role
alias
Source
TCMBank
Preferred
No
Name
CCRIS 7893
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:45993
Role
alias
Source
TCMBank
Preferred
No
Name
CHEMBL11825
Role
alias
Source
TCMBank
Preferred
No
Name
CTK0E3411
Role
alias
Source
TCMBank
Preferred
No
Name
DF-203
Role
alias
Source
TCMBank
Preferred
No
Name
DTXSID30327656
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 202-396-2
Role
alias
Source
TCMBank
Preferred
No
Name
EN300-231774
Role
alias
Source
TCMBank
Preferred
No
Name
FEMA Number 3256
Role
alias
Source
TCMBank
Preferred
No
Name
HMS3433D11
Role
alias
Source
TCMBank
Preferred
No
Name
HSDB 2796
Role
alias
Source
TCMBank
Preferred
No
Name
IDBCUMFOZBUJCL-UHFFFAOYSA-N
Role
alias
Source
TCMBank
Preferred
No
Name
IMED57809015
Role
alias
Source
TCMBank
Preferred
No
Name
InChI=1/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5
Role
alias
Source
TCMBank
Preferred
No
Name
LS-28095
Role
alias
Source
TCMBank
Preferred
No
Name
MCULE-2465361022
Role
alias
Source
TCMBank
Preferred
No
Name
MFCD00950805
Role
alias
Source
TCMBank
Preferred
No
Name
MLS002702269
Role
alias
Source
TCMBank
Preferred
No
Name
MolPort-000-810-817
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00091399-01
Role
alias
Source
TCMBank
Preferred
No
Name
NCI60_026383
Role
alias
Source
TCMBank
Preferred
No
Name
NSC 8040
Role
alias
Source
TCMBank
Preferred
No
Name
NSC674495
Role
alias
Source
TCMBank
Preferred
No
Name
SBB007298
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL1326042
Role
alias
Source
TCMBank
Preferred
No
Name
SMR001565831
Role
alias
Source
TCMBank
Preferred
No
Name
SR-01000319885
Role
alias
Source
TCMBank
Preferred
No
Name
SR-01000319885-1
Role
alias
Source
TCMBank
Preferred
No
Name
ST077878
Role
alias
Source
TCMBank
Preferred
No
Name
STK027735
Role
alias
Source
TCMBank
Preferred
No
Name
T6913
Role
alias
Source
TCMBank
Preferred
No
Name
Usaf ek-4812
Role
alias
Source
TCMBank
Preferred
No
Name
W325600_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
WLN: T56 BN DSJ
Role
alias
Source
TCMBank
Preferred
No
Name
ZB000649
Role
alias
Source
TCMBank
Preferred
No
Name
ZERO/005854
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC00019726
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC6701
Role
alias
Source
TCMBank
Preferred
No
Name
[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]amine
Role
alias
Source
TCMBank
Preferred
No
Name
c1128
Role
alias
Source
TCMBank
Preferred
No
Name
cid_384525
Role
alias
Source
TCMBank
Preferred
No
Name
o-2857
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
红花HONG HUASafflower1,3-Benzothiazole1-Thia-3-azaindene95-16-9BENZO[D]THIAZOLEBenzosulfonazoleFEMA No. 3256USAF EK-4812Vangard BTbenzothiazolTHZ101338_ALDRICH12797_FLUKA128366-28-9178804-04-12-(4'-amino-3'-methylphenyl)benzothiazole4-(1,3-benzothiazol-2-yl)-2-methylaniline4-(3H-1lambda*4*-Benzothiazol-2-yl)-2-methyl-phenylamine4-(benzo[d]thiazol-2-yl)-2-methylaniline4-(benzo[d]thiazol-2-yl)-2-methylbenzenamine4-27-00-01069 (Beilstein Handbook Reference)4-Benzothiazol-2-yl-2-methyl-phenylamineAC-907/25014160AC1L8NN0AI3-05742AIDS-019689AK619236AKOS000108517BAS 06856403BB 0245167BBL008089BB_SC-00831BB_SC-0831BDBM50141278BOTBRN 0109468Benzenamine, 4-(2-benzothiazolyl)-2-methyl-Benzenamine, 4-(benzothiazol-2-yl)-2-methyl-Benzothiazole, 2-(4-amino-3-methylphenyl)-CCG-35258CCRIS 7893CHEBI:45993CHEMBL11825CTK0E3411DF-203DTXSID30327656EINECS 202-396-2EN300-231774FEMA Number 3256HMS3433D11HSDB 2796IDBCUMFOZBUJCL-UHFFFAOYSA-NIMED57809015InChI=1/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5LS-28095MCULE-2465361022MFCD00950805MLS002702269MolPort-000-810-817NCGC00091399-01NCI60_026383NSC 8040NSC674495SBB007298SCHEMBL1326042SMR001565831SR-01000319885SR-01000319885-1ST077878STK027735T6913W325600_ALDRICHWLN: T56 BN DSJZB000649ZERO/005854ZINC00019726ZINC6701[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]aminec1128cid_384525o-2857
Cross References
Trusted external identifiers retained for this final record.
Cas
95-16-9
Herb
HBIN017806HBIN046405
Npass
NPC287895
Tcmid
2228
Tcmsp
MOL002778
Sym Map
SMIT01292SMIT04965
Tcm Id
6369
Pub Chem
7222
Tcmbank
TCMBANKIN031459TCMBANKIN058407
Etcm Ingredient
Benzothiazole
Itcmdb Generated
ITX-INGREDIENT-422FEFFCD999ITX-INGREDIENT-D4C8A5EB8C74
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H
Mol Wt
135.191
Cas Id
95-16-9
Smiles
C1=CC=C2C(=C1)N=CS2
Mol Log P
2.2963
Version
v1,v2
In Ch Ikey
IOJUPLGTWVMSFF-UHFFFAOYSA-N
Suppress
0
Tcm Name
红花
Tcm Name2
HONG HUA
Mol2 Path
/TCM_database/2007_3d_all/02228.mol2
Reference
660
Num Hdonors
0
Tcm Name En
Safflower
Drug Likeness
0.54
Num Hacceptors
2
Isomeric Smiles
C1=CC=C2C(=C1)N=CS2
Molecule Weight
135.189
Canonical Smiles
C1=CC=C2C(=C1)N=CS2
Herb Alias Names
95-16-9BENZO[D]THIAZOLE1,3-BenzothiazoleBenzosulfonazole1-Thia-3-azaindeneVangard BTbenzothiazolUSAF EK-4812FEMA No. 3256
Molecular Weight
135.010
Molecular Weight
135.19
Molecule Formula
C7H5NS
Molecular Formula
C7H5NS
Molecular Formula
C7H5NS
Molecular Formula
C7H5NS
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.029
Quantitative Estimate Of Drug Likeness（Qed）
0.540